N-(4-chloro-3-methylbutan-2-yl)furo[3,2-c]pyridin-4-amine

C12H15ClN2O — CID 106535732

IUPACN-(4-chloro-3-methylbutan-2-yl)furo[3,2-c]pyridin-4-amine
SMILESCC(CCl)C(C)Nc1nccc2occc12
InChIInChI=1S/C12H15ClN2O/c1-8(7-13)9(2)15-12-10-4-6-16-11(10)3-5-14-12/h3-6,8-9H,7H2,1-2H3,(H,14,15)
InChIKeySGENLXGRIBHRQW-UHFFFAOYSA-N
MW238.72 g/mol
LogP3.50
Rot. Bonds4

About N-(4-chloro-3-methylbutan-2-yl)furo[3,2-c]pyridin-4-amine

N-(4-chloro-3-methylbutan-2-yl)furo[3,2-c]pyridin-4-amine (PubChem CID 106535732) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is N-(4-chloro-3-methylbutan-2-yl)furo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-3-methylbutan-2-yl)furo[3,2-c]pyridin-4-amine
PubChem CID106535732
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC NameN-(4-chloro-3-methylbutan-2-yl)furo[3,2-c]pyridin-4-amine
SMILESCC(CCl)C(C)Nc1nccc2occc12
InChIInChI=1S/C12H15ClN2O/c1-8(7-13)9(2)15-12-10-4-6-16-11(10)3-5-14-12/h3-6,8-9H,7H2,1-2H3,(H,14,15)
InChIKeySGENLXGRIBHRQW-UHFFFAOYSA-N
XLogP3.50
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylpentan-2-yl)furo[3,2-c]pyridin-4-amine
CID 103819957
2-(furo[3,2-c]pyridin-4-ylamino)propan-1-ol
CID 103729109
3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol
CID 103703297
N-but-3-en-2-ylfuro[3,2-c]pyridin-4-amine
CID 103750018
N-[1-(furan-2-yl)ethyl]furo[3,2-c]pyridin-4-amine
CID 103702484
3-N-furo[3,2-c]pyridin-4-yl-4-methylpentane-1,3-diamine
CID 106357602
2-(furo[3,2-c]pyridin-4-ylamino)-N-methylpropanamide
CID 106535100
(2R)-2-(furo[3,2-c]pyridin-4-ylamino)-3-methylbutanoic acid
CID 122050846
N-[1-(furan-2-yl)propan-2-yl]furo[3,2-c]pyridin-4-amine
CID 113243688
2-(furo[3,2-c]pyridin-4-ylamino)-N-propan-2-ylpropanamide
CID 106535186
N-(1-pyrrolidin-1-ylpropan-2-yl)furo[3,2-c]pyridin-4-amine
CID 103702723
N-(2-methylbutyl)furo[3,2-c]pyridin-4-amine
CID 106535128

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylbutan-2-yl)furo[3,2-c]pyridin-4-amine?
The IUPAC name of N-(4-chloro-3-methylbutan-2-yl)furo[3,2-c]pyridin-4-amine (CID 106535732) is N-(4-chloro-3-methylbutan-2-yl)furo[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(4-chloro-3-methylbutan-2-yl)furo[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(4-chloro-3-methylbutan-2-yl)furo[3,2-c]pyridin-4-amine is CC(CCl)C(C)Nc1nccc2occc12.
What is the InChIKey of N-(4-chloro-3-methylbutan-2-yl)furo[3,2-c]pyridin-4-amine?
The InChIKey is SGENLXGRIBHRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-8(7-13)9(2)15-12-10-4-6-16-11(10)3-5-14-12/h3-6,8-9H,7H2,1-2H3,(H,14,15).
What are the key properties of N-(4-chloro-3-methylbutan-2-yl)furo[3,2-c]pyridin-4-amine?
N-(4-chloro-3-methylbutan-2-yl)furo[3,2-c]pyridin-4-amine has a molecular weight of 238.72 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylbutan-2-yl)furo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 106535732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).